N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide

C17H23N3O3 — CID 109381223

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)17(3,4)9-18-16(22)13-7-5-12(6-8-13)15-19-10-23-20-15/h5-8,10-11,14,21H,9H2,1-4H3,(H,18,22)
InChIKeyOAETYNXRGVEEAC-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.51
Rot. Bonds6

About N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 109381223) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID109381223
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)17(3,4)9-18-16(22)13-7-5-12(6-8-13)15-19-10-23-20-15/h5-8,10-11,14,21H,9H2,1-4H3,(H,18,22)
InChIKeyOAETYNXRGVEEAC-UHFFFAOYSA-N
XLogP2.51
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111478813
N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
CID 109380934
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 154835530

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 109381223) is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide is CC(C)C(O)C(C)(C)CNC(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is OAETYNXRGVEEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)14(21)17(3,4)9-18-16(22)13-7-5-12(6-8-13)15-19-10-23-20-15/h5-8,10-11,14,21H,9H2,1-4H3,(H,18,22).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 317.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 109381223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).